3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine

C17H33N3 — CID 63046291

IUPAC3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CN2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C17H33N3/c18-16-6-4-5-15(13-16)14-19-11-7-17(8-12-19)20-9-2-1-3-10-20/h15-17H,1-14,18H2
InChIKeySPLUOCSRIYJWCE-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.45
Rot. Bonds3

About 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine

3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63046291) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID63046291
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CN2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C17H33N3/c18-16-6-4-5-15(13-16)14-19-11-7-17(8-12-19)20-9-2-1-3-10-20/h15-17H,1-14,18H2
InChIKeySPLUOCSRIYJWCE-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(piperidin-1-ylmethyl)cyclohexan-1-amine
CID 63044906
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 66008849
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046292
3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 167776529
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 63045605
3-[(3-methoxypyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 103534683
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 63161660
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
4-(azepan-1-yl)cyclohexan-1-amine
CID 62807611

Frequently Asked Questions

What is the IUPAC name of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine (CID 63046291) is 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine is NC1CCCC(CN2CCC(N3CCCCC3)CC2)C1.
What is the InChIKey of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is SPLUOCSRIYJWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c18-16-6-4-5-15(13-16)14-19-11-7-17(8-12-19)20-9-2-1-3-10-20/h15-17H,1-14,18H2.
What are the key properties of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine?
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63046291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).